CID 10883829

Phytosphingosine 1-phosphate

Structural Information

Molecular Formula
C18H40NO6P
SMILES
CCCCCCCCCCCCCC[C@H]([C@H]([C@H](COP(=O)(O)O)N)O)O
InChI
InChI=1S/C18H40NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)18(21)16(19)15-25-26(22,23)24/h16-18,20-21H,2-15,19H2,1H3,(H2,22,23,24)/t16-,17+,18-/m0/s1
InChIKey
AYGOSKULTISFCW-KSZLIROESA-N
Compound name
[(2S,3S,4R)-2-amino-3,4-dihydroxyoctadecyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

29
References

285
Patents

397.25934 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.26662 198.6
[M+Na]+ 420.24856 201.4
[M-H]- 396.25206 192.8
[M+NH4]+ 415.29316 194.2
[M+K]+ 436.22250 195.7
[M+H-H2O]+ 380.25660 197.9
[M+HCOO]- 442.25754 199.8
[M+CH3COO]- 456.27319 219.0
[M+Na-2H]- 418.23401 199.2
[M]+ 397.25879 190.7
[M]- 397.25989 190.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe